3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide

C23H25N3O3S — CID 154837183

IUPAC3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)Nc1cccc(CCC(O)c2ccccc2)c1)c1cccs1
InChIInChI=1S/C23H25N3O3S/c24-23(29)26-19(21-10-5-13-30-21)15-22(28)25-18-9-4-6-16(14-18)11-12-20(27)17-7-2-1-3-8-17/h1-10,13-14,19-20,27H,11-12,15H2,(H,25,28)(H3,24,26,29)
InChIKeyKFFSBMKJSGUSNW-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.15
Rot. Bonds9

About 3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 154837183) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide
PubChem CID154837183
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)Nc1cccc(CCC(O)c2ccccc2)c1)c1cccs1
InChIInChI=1S/C23H25N3O3S/c24-23(29)26-19(21-10-5-13-30-21)15-22(28)25-18-9-4-6-16(14-18)11-12-20(27)17-7-2-1-3-8-17/h1-10,13-14,19-20,27H,11-12,15H2,(H,25,28)(H3,24,26,29)
InChIKeyKFFSBMKJSGUSNW-UHFFFAOYSA-N
XLogP4.15
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide (CID 154837183) is 3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide is NC(=O)NC(CC(=O)Nc1cccc(CCC(O)c2ccccc2)c1)c1cccs1.
What is the InChIKey of 3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is KFFSBMKJSGUSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c24-23(29)26-19(21-10-5-13-30-21)15-22(28)25-18-9-4-6-16(14-18)11-12-20(27)17-7-2-1-3-8-17/h1-10,13-14,19-20,27H,11-12,15H2,(H,25,28)(H3,24,26,29).
What are the key properties of 3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 423.54 g/mol, XLogP of 4.15, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[3-(3-hydroxy-3-phenylpropyl)phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 154837183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).